CID 130003976

1822530-58-4

Structural Information

Molecular Formula

C₁₀H₁₇NO₄

SMILES

CC1CC(N1C(=O)OC(C)(C)C)C(=O)O

InChI

InChI=1S/C10H17NO4/c1-6-5-7(8(12)13)11(6)9(14)15-10(2,3)4/h6-7H,5H2,1-4H3,(H,12,13)

InChIKey

SZFDJSLFSMVIOM-UHFFFAOYSA-N

Compound name

4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 215.11575 Da
Monoisotopic Mass: 1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	216.123026	149.6
[M+Na]+	238.104968	154.8
[M-H]-	214.108474	150.5
[M+NH4]+	233.149573	160.1
[M+K]+	254.078908	158.0
[M+H-H2O]+	198.113010	139.1
[M+HCOO]-	260.113951	165.2
[M+CH3COO]-	274.129601	189.2
[M+Na-2H]-	236.090416	150.6
[M]+	215.11520142	159.6
[M]-	215.11629858	159.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe